1-[[phenyl(pyridin-2-yl)methyl]amino]-2-thiophen-2-ylpropan-2-ol

C19H20N2OS — CID 110010749

IUPAC1-[[phenyl(pyridin-2-yl)methyl]amino]-2-thiophen-2-ylpropan-2-ol
SMILESCC(O)(CNC(c1ccccc1)c1ccccn1)c1cccs1
InChIInChI=1S/C19H20N2OS/c1-19(22,17-11-7-13-23-17)14-21-18(15-8-3-2-4-9-15)16-10-5-6-12-20-16/h2-13,18,21-22H,14H2,1H3
InChIKeyRASMIBWSOJHPAL-UHFFFAOYSA-N
MW324.45 g/mol
LogP3.73
Rot. Bonds6

About 1-[[phenyl(pyridin-2-yl)methyl]amino]-2-thiophen-2-ylpropan-2-ol

1-[[phenyl(pyridin-2-yl)methyl]amino]-2-thiophen-2-ylpropan-2-ol (PubChem CID 110010749) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is 1-[[phenyl(pyridin-2-yl)methyl]amino]-2-thiophen-2-ylpropan-2-ol.

Molecular Properties

Compound Name1-[[phenyl(pyridin-2-yl)methyl]amino]-2-thiophen-2-ylpropan-2-ol
PubChem CID110010749
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC Name1-[[phenyl(pyridin-2-yl)methyl]amino]-2-thiophen-2-ylpropan-2-ol
SMILESCC(O)(CNC(c1ccccc1)c1ccccn1)c1cccs1
InChIInChI=1S/C19H20N2OS/c1-19(22,17-11-7-13-23-17)14-21-18(15-8-3-2-4-9-15)16-10-5-6-12-20-16/h2-13,18,21-22H,14H2,1H3
InChIKeyRASMIBWSOJHPAL-UHFFFAOYSA-N
XLogP3.73
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[phenyl(pyridin-2-yl)methyl]amino]-2-thiophen-2-ylpropan-2-ol?
The IUPAC name of 1-[[phenyl(pyridin-2-yl)methyl]amino]-2-thiophen-2-ylpropan-2-ol (CID 110010749) is 1-[[phenyl(pyridin-2-yl)methyl]amino]-2-thiophen-2-ylpropan-2-ol.
What is the SMILES notation for 1-[[phenyl(pyridin-2-yl)methyl]amino]-2-thiophen-2-ylpropan-2-ol?
The canonical SMILES for 1-[[phenyl(pyridin-2-yl)methyl]amino]-2-thiophen-2-ylpropan-2-ol is CC(O)(CNC(c1ccccc1)c1ccccn1)c1cccs1.
What is the InChIKey of 1-[[phenyl(pyridin-2-yl)methyl]amino]-2-thiophen-2-ylpropan-2-ol?
The InChIKey is RASMIBWSOJHPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS/c1-19(22,17-11-7-13-23-17)14-21-18(15-8-3-2-4-9-15)16-10-5-6-12-20-16/h2-13,18,21-22H,14H2,1H3.
What are the key properties of 1-[[phenyl(pyridin-2-yl)methyl]amino]-2-thiophen-2-ylpropan-2-ol?
1-[[phenyl(pyridin-2-yl)methyl]amino]-2-thiophen-2-ylpropan-2-ol has a molecular weight of 324.45 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[phenyl(pyridin-2-yl)methyl]amino]-2-thiophen-2-ylpropan-2-ol is sourced from PubChem (CID 110010749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).